1-N-benzyl-1-N,3,7,10-tetraphenylpyrrolo[3,2-a]carbazole-1,2-diamine

C45H34N4 — CID 144645891

IUPAC1-N-benzyl-1-N,3,7,10-tetraphenylpyrrolo[3,2-a]carbazole-1,2-diamine
SMILESNc1c(N(Cc2ccccc2)c2ccccc2)c2c(ccc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c32)n1-c1ccccc1
InChIInChI=1S/C45H34N4/c46-45-44(47(35-20-10-3-11-21-35)31-32-16-6-1-7-17-32)42-41(49(45)37-24-14-5-15-25-37)29-27-38-39-30-34(33-18-8-2-9-19-33)26-28-40(39)48(43(38)42)36-22-12-4-13-23-36/h1-30H,31,46H2
InChIKeyGROONQIZENAGNW-UHFFFAOYSA-N
MW630.80 g/mol
LogP11.32
Rot. Bonds7

About 1-N-benzyl-1-N,3,7,10-tetraphenylpyrrolo[3,2-a]carbazole-1,2-diamine

1-N-benzyl-1-N,3,7,10-tetraphenylpyrrolo[3,2-a]carbazole-1,2-diamine (PubChem CID 144645891) has the molecular formula C45H34N4 and a molecular weight of 630.80 g/mol. Its IUPAC name is 1-N-benzyl-1-N,3,7,10-tetraphenylpyrrolo[3,2-a]carbazole-1,2-diamine.

Molecular Properties

Compound Name1-N-benzyl-1-N,3,7,10-tetraphenylpyrrolo[3,2-a]carbazole-1,2-diamine
PubChem CID144645891
Molecular FormulaC45H34N4
Molecular Weight630.80 g/mol
Exact Mass630.28
IUPAC Name1-N-benzyl-1-N,3,7,10-tetraphenylpyrrolo[3,2-a]carbazole-1,2-diamine
SMILESNc1c(N(Cc2ccccc2)c2ccccc2)c2c(ccc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c32)n1-c1ccccc1
InChIInChI=1S/C45H34N4/c46-45-44(47(35-20-10-3-11-21-35)31-32-16-6-1-7-17-32)42-41(49(45)37-24-14-5-15-25-37)29-27-38-39-30-34(33-18-8-2-9-19-33)26-28-40(39)48(43(38)42)36-22-12-4-13-23-36/h1-30H,31,46H2
InChIKeyGROONQIZENAGNW-UHFFFAOYSA-N
XLogP11.32
TPSA39.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.80
LogP ≤ 511.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]aniline
CID 126631214
3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine
CID 144645900
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5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
CID 118318986
N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 121311168
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline
CID 163422851
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CID 145273285
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N,3,7,10-tetraphenylpyrrolo[3,2-a]carbazole-1,2-diamine?
The IUPAC name of 1-N-benzyl-1-N,3,7,10-tetraphenylpyrrolo[3,2-a]carbazole-1,2-diamine (CID 144645891) is 1-N-benzyl-1-N,3,7,10-tetraphenylpyrrolo[3,2-a]carbazole-1,2-diamine.
What is the SMILES notation for 1-N-benzyl-1-N,3,7,10-tetraphenylpyrrolo[3,2-a]carbazole-1,2-diamine?
The canonical SMILES for 1-N-benzyl-1-N,3,7,10-tetraphenylpyrrolo[3,2-a]carbazole-1,2-diamine is Nc1c(N(Cc2ccccc2)c2ccccc2)c2c(ccc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c32)n1-c1ccccc1.
What is the InChIKey of 1-N-benzyl-1-N,3,7,10-tetraphenylpyrrolo[3,2-a]carbazole-1,2-diamine?
The InChIKey is GROONQIZENAGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N4/c46-45-44(47(35-20-10-3-11-21-35)31-32-16-6-1-7-17-32)42-41(49(45)37-24-14-5-15-25-37)29-27-38-39-30-34(33-18-8-2-9-19-33)26-28-40(39)48(43(38)42)36-22-12-4-13-23-36/h1-30H,31,46H2.
What are the key properties of 1-N-benzyl-1-N,3,7,10-tetraphenylpyrrolo[3,2-a]carbazole-1,2-diamine?
1-N-benzyl-1-N,3,7,10-tetraphenylpyrrolo[3,2-a]carbazole-1,2-diamine has a molecular weight of 630.80 g/mol, XLogP of 11.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N,3,7,10-tetraphenylpyrrolo[3,2-a]carbazole-1,2-diamine is sourced from PubChem (CID 144645891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).